N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide

C14H15N3OS — CID 8503017

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1C
InChIInChI=1S/C14H15N3OS/c1-8-4-3-5-11(9(8)2)12(18)15-14-17-16-13(19-14)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyMNPHAPQJEOQKTG-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.28
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide (PubChem CID 8503017) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
PubChem CID8503017
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1C
InChIInChI=1S/C14H15N3OS/c1-8-4-3-5-11(9(8)2)12(18)15-14-17-16-13(19-14)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyMNPHAPQJEOQKTG-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 79513455
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24647540
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 29412307
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide
CID 1261360
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17218011
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 33316475

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide (CID 8503017) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1C.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide?
The InChIKey is MNPHAPQJEOQKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8-4-3-5-11(9(8)2)12(18)15-14-17-16-13(19-14)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide has a molecular weight of 273.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 8503017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).